CID 6446867

Lg 50,164

Structural Information

Molecular Formula
C18H25NO6
SMILES
CC1CN(CCC1(O)O)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H25NO6/c1-12-11-19(8-7-18(12,21)22)16(20)6-5-13-9-14(23-2)17(25-4)15(10-13)24-3/h5-6,9-10,12,21-22H,7-8,11H2,1-4H3/b6-5+
InChIKey
NAWPGPOUPJRPDU-AATRIKPKSA-N
Compound name
(E)-1-(4,4-dihydroxy-3-methylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16818 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17546 180.8
[M+Na]+ 374.15740 187.0
[M-H]- 350.16090 183.4
[M+NH4]+ 369.20200 193.4
[M+K]+ 390.13134 184.7
[M+H-H2O]+ 334.16544 173.6
[M+HCOO]- 396.16638 195.7
[M+CH3COO]- 410.18203 209.2
[M+Na-2H]- 372.14285 180.2
[M]+ 351.16763 182.8
[M]- 351.16873 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.